Basic information
- CAS
4657-94-7- Standard SMILES
CC(=O)Nc1ccc2c3c(cccc13)CC2- InChIKey
RXRZTIATQMVXOK-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Names & identifiers
- Preferred name
- N-Acenaphthen-5-ylacetamide
- IUPAC
- N-(1,2-dihydroacenaphthylen-5-yl)acetamide
- English name
- N-acenaphthen-5-ylacetamide
- Molecular formula
- C14H13NO
- Molecular weight
- 211.26
Names & synonyms
4657-94-7N-(1,2-dihydroacenaphthylen-5-yl)acetamideN-ACENAPHTHEN-5-YLACETAMIDEN-(1,2-dihydro-5-acenaphthylenyl)acetamideNSC 400577NSC400577Oprea1_311655MLS0005736515-(N-acetylamino)acenaphthene5-ACETAMIDOACENAPHTHENESCHEMBL8622634CHEMBL1866750
Show more names
Acetamide, N-(1,2-dihydro-5-acenaphthylenyl)-
DTXSID00322153Acetamide, N-(5-acenaphthenyl)-RXRZTIATQMVXOK-UHFFFAOYSA-NHMS2381A20AKOS002376597NSC-400577Acetamide,10-dihydro-5-acenaphthylenyl)-SMR000184500
Database identifiers
- CAS
4657-94-7- PubChem CID
- 343948
- DTXSID
DTXSID00322153- ChEMBL
CHEMBL1866750
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 192 °C · 192 °C
- Boiling point
- 462.2 · 462.2±24.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 15.84 · 15.84±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
2 records
Compound notes
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